N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide

C17H16F3N3O3 — CID 122278049

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-1-3-12(14)16(25)21-9-10-23-15(24)8-7-13(22-23)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,21,25)
InChIKeyLDDYPZDDFNYIOH-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 122278049) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
PubChem CID122278049
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-1-3-12(14)16(25)21-9-10-23-15(24)8-7-13(22-23)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,21,25)
InChIKeyLDDYPZDDFNYIOH-UHFFFAOYSA-N
XLogP2.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
CID 122277980
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122278241
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide (CID 122278049) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide is O=C(NCCn1nc(C2CC2)ccc1=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is LDDYPZDDFNYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-1-3-12(14)16(25)21-9-10-23-15(24)8-7-13(22-23)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,21,25).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 367.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122278049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).